2-(3,5-dimethylphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C

InChI

InChI=1S/C21H25NO4S/c1-13-10-14(2)12-16(11-13)25-8-9-26-21(24)19-17-6-4-5-7-18(17)27-20(19)22-15(3)23/h10-12H,4-9H2,1-3H3,(H,22,23)